CID 2782393

151772-58-6

Structural Information

Molecular Formula
C5HF9O4
SMILES
C(=O)(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O4/c6-2(7,1(15)16)17-3(8,9)4(10,11)18-5(12,13)14/h(H,15,16)
InChIKey
PPWRLPJIHGWGFH-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

72
Patents

295.9731 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.98038 146.5
[M+Na]+ 318.96232 155.6
[M-H]- 294.96582 135.0
[M+NH4]+ 314.00692 160.3
[M+K]+ 334.93626 154.6
[M+H-H2O]+ 278.97036 136.0
[M+HCOO]- 340.97130 153.5
[M+CH3COO]- 354.98695 196.8
[M+Na-2H]- 316.94777 151.2
[M]+ 295.97255 135.3
[M]- 295.97365 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe